Binding information for 3fsj_ligand_frag_0.mol2(FDBF04868)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fsj_ligand_frag_0.mol2 | 3fsj | 0.333333 | -5.55 | P(O)O | 3 |
Structure and binding mode of 3fsj_ligand_frag_0.mol2(FDBF04868)
Important binding residues for 3fsj_ligand_frag_0.mol2(FDBF04868)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fsj | ILE426 | -0.13 | -0.03 | -0.16 | -0.28 | -0.43 |
| 3fsj | GLY427 | -0.31 | -1.65 | -1.96 | 0.92 | -1.04 |
| 3fsj | ASP428 | -0.82 | 3.15 | 2.33 | -3.40 | -1.07 |
| 3fsj | SER430 | 2.05 | -5.87 | -3.82 | 1.66 | -2.17 |
| 3fsj | ASN455 | -0.12 | 0.25 | 0.13 | -0.83 | -0.70 |
| 3fsj | THR457 | -0.32 | 0.76 | 0.44 | -1.32 | -0.88 |
| 3fsj | TYR458 | -0.58 | -0.02 | -0.6 | 0.10 | -0.50 |
